N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-methyl-5-propan-2-ylpyrazole-3-carboxamide

C13H23N3O2S — CID 111560576

IUPACN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-methyl-5-propan-2-ylpyrazole-3-carboxamide
SMILESCSCC(C)(O)CNC(=O)c1cc(C(C)C)n(C)n1
InChIInChI=1S/C13H23N3O2S/c1-9(2)11-6-10(15-16(11)4)12(17)14-7-13(3,18)8-19-5/h6,9,18H,7-8H2,1-5H3,(H,14,17)
InChIKeyLODXLDBFMLTVPI-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.39
Rot. Bonds6

About N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-methyl-5-propan-2-ylpyrazole-3-carboxamide

N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-methyl-5-propan-2-ylpyrazole-3-carboxamide (PubChem CID 111560576) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-methyl-5-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-methyl-5-propan-2-ylpyrazole-3-carboxamide
PubChem CID111560576
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-methyl-5-propan-2-ylpyrazole-3-carboxamide
SMILESCSCC(C)(O)CNC(=O)c1cc(C(C)C)n(C)n1
InChIInChI=1S/C13H23N3O2S/c1-9(2)11-6-10(15-16(11)4)12(17)14-7-13(3,18)8-19-5/h6,9,18H,7-8H2,1-5H3,(H,14,17)
InChIKeyLODXLDBFMLTVPI-UHFFFAOYSA-N
XLogP1.39
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-methyl-5-propan-2-ylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethyl-3-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid
CID 119250261
3-ethyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-methylpyrazole-5-carboxamide
CID 114163305
1-methyl-N-[2-(methylamino)propyl]-5-propan-2-ylpyrazole-3-carboxamide
CID 120828370
1-methyl-N-[2-(methylamino)ethyl]-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride
CID 119501561
N-(3-aminopropyl)-1-methyl-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride
CID 119406374
N-(3-amino-2-methylpropyl)-1-methyl-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride
CID 119997570
1-tert-butyl-5-cyclopropyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyrazole-3-carboxamide
CID 111436087
2-methyl-2-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]pentanoic acid
CID 119192382
N-[(1-hydroxycyclopentyl)methyl]-1-methyl-5-propan-2-ylpyrazole-3-carboxamide
CID 111560347
N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-6-methylpyridine-2-carboxamide
CID 95773940
4-bromo-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]-1-methylpyrrole-2-carboxamide
CID 96565339
4-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide
CID 113239570

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-methyl-5-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-methyl-5-propan-2-ylpyrazole-3-carboxamide (CID 111560576) is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-methyl-5-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-methyl-5-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-methyl-5-propan-2-ylpyrazole-3-carboxamide is CSCC(C)(O)CNC(=O)c1cc(C(C)C)n(C)n1.
What is the InChIKey of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-methyl-5-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is LODXLDBFMLTVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-9(2)11-6-10(15-16(11)4)12(17)14-7-13(3,18)8-19-5/h6,9,18H,7-8H2,1-5H3,(H,14,17).
What are the key properties of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-methyl-5-propan-2-ylpyrazole-3-carboxamide?
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-methyl-5-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 285.41 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-methyl-5-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 111560576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).